SCHEMBL29687198

SCHEMBL29687198

O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(=O)n(-c2cnc3cccnc3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ABL1 P00519 18/20 0.46
▸ TRPV1 Q8NER1 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23091742 1.00 MEN1 (0.50) MEN1HTTKMT2ASMN1; SMN2ABL1
SCHEMBL23091638 0.89 SMN1; SMN2 (0.59) MEN1HTTKMT2ASMN1; SMN2ABL1
SCHEMBL24849972 0.85 ABL1 (0.46) ABL1
SCHEMBL23091643 0.84 ABL1 (0.51) KMT2AABL1
SCHEMBL29687226 0.84 ABL1 (0.51) KMT2AABL1
SCHEMBL23091782 0.83 ABL1 (0.46) ABL1
SCHEMBL23091675 0.83 MEN1 (0.47) MEN1KMT2AABL1
SCHEMBL23091659 0.82 ABL1 (0.44) ABL1
SCHEMBL23091736 0.82 ABL1 (0.51) ABL1
SCHEMBL23091778 0.82 ABL1 (0.48) SMN1; SMN2ABL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4028387-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-07-20 — — EP claimed
US-20230002346-A1 NEW COMPOUNDS AND METHODS BenevolentAl Bio Limited (GB) 2023-01-05 — — US disclosed
EP-4028387-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-07-20 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230002346-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK MEN1 2728/4885HTT 2332/4885KMT2A 2618/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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